Vitas-M small molecule compound

4,4'-[(5-bromofuran-2-yl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol)

Catalog ID
STK020180
SMILES Brc1ccc(o1)C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C13H13BrN4O3 MW 353.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrN4O3/c1-5-9(12(19)17-15-5)11(7-3-4-8(14)21-7)10-6(2)16-18-13(10)20/h3-4,11H,1-2H3,(H2,15,17,19)(H2,16,18,20)
InChIKey
PBTFAEVVICJRIB-UHFFFAOYSA-N
Synonyms

4((5BROMOFURAN2YL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
44((5BROMOFURAN2YL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
Brc1ccc(o1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
CC1=C(C(=O)NN1)C(C2=CC=C(O2)Br)C3=C(NNC3=O)C
InChI=1SC13H13BrN4O3c159(12(19)17155)11(7348(14)217)106(2)161813(10)20h3411H12H3(H2151719)(H2161820)
MFCD03037014
STK020180
ZINC000019907796
ZINC19907796

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.